N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-[(phenylmethyl)-prop-2-enyl-amino]ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-[(phenylmethyl)-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl(benzyl)amino]-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-2-[(phenylmethyl)-prop-2-enylamino]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[benzyl(prop-2-enyl)amino]-N-ethylacetamide Traditional Name: 2-[allyl(benzyl)amino]-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-acetamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CN(CC=C)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CN(CC=C)CC2=CC=CC=C2)N

InChI

InChI=1S/C22H31N5O3/c1-4-7-14-27-20(23)19(21(29)24-22(27)30)26(6-3)18(28)16-25(13-5-2)15-17-11-9-8-10-12-17/h5,8-12H,2,4,6-7,13-16,23H2,1,3H3,(H,24,29,30)